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Journal of Chemical Information and Modeling, 12 January 2026, Volume 66, Issue 1

Journal of Chemical Information and Modeling, 12 January 2026, Volume 66, Issue 1

Posted on 2026/01/12

by sg_portfolio

Adsorption Energy Prediction
Atomic And Structural Descriptors
Boruta Algorithm
CO₂RR
Density Functional Theory
DFT
Electrocatalyst Screening
Electrochemical Carbon Dioxide Reduction
Elemental Grouping Iterative Split Validation
Feature Selection
Machine Learning For Catalyst Discovery
Novel Metal Elements

ACS
Journal of Chemical Information and Modeling

Journal: Journal of Chemical Information and Modeling
Publisher: ACS
Article Title: Adsorption Energy Prediction Model for CO2 Reduction on Electrocatalysts Containing Previously Unencountered Metal Elements
Authors: Issa Onishi and Hiromasa Kaneko
Paper link: https://pubs.acs.org/doi/10.1021/acs.jcim.5c02182
Journal issue link: https://pubs.acs.org/toc/jcisd8/66/1